Name: Equisetin
Rating: 5 (10 reviews)

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HIT ID:HIT212038893
Cas No:57749-43-6
常用名:Equisetin
IUPAC:(3E,5S)-3-{[(1S,2R,4aS,6R,8aR)-1,6-dimethyl-2-[(1E)-prop-1-en-1-yl]-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl](hydroxy)methylidene}-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione
IUPAC:(3E,5S)-3-{[(1S,2R,4aS,6R,8aR)-1,6-dimethyl-2-[(1E)-prop-1-en-1-yl]-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl](hydroxy)methylidene}-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione
InChI key:QNQBPPQLRODXET-AIMHRHHOSA-N

分子式:C22H31NO4
分子量:373.493
氢键供体数 (HBD):2
氢键受体数 (HBA):4
LogP:2.6695936
SMILES:[H][C@@]12C[C@H](C)CC[C@@]1([H])[C@@](C)([C@H](\C=C\C)C=C2)C(\O)=C1\C(=O)[C@H](CO)N(C)C1=O |c:16|
SMILES:[H][C@@]12C[C@H](C)CC[C@@]1([H])[C@@](C)([C@H](\C=C\C)C=C2)C(\O)=C1\C(=O)[C@H](CO)N(C)C1=O |c:16|

Equisetin, an N-methylserine-derived acyl tetramic acid isolated from the terrestrial fungus Fusarium equiseti NRRL 5537, functions as a Quorum-sensing inhibitor (QSI) that specifically attenuates QS-regulated virulence phenotypes in P. aeruginosa, presenting a potent lead for treating P. aeruginosa infections without hindering bacterial growth. This tetramate-containing natural product possesses antibiotic and cytotoxic properties, effectively inhibiting the growth of Gram-positive bacteria and HIV-1 integrase activity, yet it does not impact Gram-negative bacteria.

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